SCHEMBL8040940

SCHEMBL8040940

CC#CCC1CCC(c2ccc(C#Cc3ccc(CCCCC)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.53
SPHK2 Q9NRA0 7/20 0.47
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8040035 0.99 SPHK1 (0.55) SPHK1SPHK2TSHRHSD17B10MMP2
SCHEMBL8046325 0.91 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL8042841 0.90 SPHK1 (0.53) SPHK1SPHK2TSHRHSD17B10MMP2
SCHEMBL8042962 0.89 SPHK1 (0.55) SPHK1SPHK2TSHRHSD17B10MMP2
SCHEMBL8040935 0.86 ACACB (0.36) SPHK1
SCHEMBL8040931 0.84 SPHK1 (0.49) SPHK1SPHK2FFAR1FFAR4
SCHEMBL8039315 0.83 SPHK1 (0.36) SPHK1SPHK2FFAR1FFAR4
SCHEMBL8046412 0.83 SPHK1 (0.45) SPHK1SPHK2FFAR1FFAR4
SCHEMBL8040078 0.83 SPHK1 (0.44) SPHK1SPHK2FFAR1FFAR4
SCHEMBL8029221 0.81 SPHK1 (0.42) SPHK1SPHK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed